Geometry & MOs

Info

ID:	374102
PubChem CID:	131323724
Reduced:	BrFNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	354.92417
ΔH_f, kcal/mol:	-121.36
Dipole, Da:	2.22
IP(EA), eV:	-9.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-amino-3-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

C[C@](CO)([C@@H](C1=CC(=C(C=C1)Br)F)N)O

DOS

IR

Vibrations